UCSF

ZINC35698683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.03 -15.38 1 4 0 47 308.359 2
Mid Mid (pH 6-8) 2.89 5.73 -41.94 0 4 -1 50 307.351 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )